Search

Backbone-modified variant of the B domain of Staphylococcal protein A: Aib residues in helix 3
Authors
Santhouse, J.R., Leung, J.M.G., Chong, L.T., Horne, W.S.
Assembly
Immunoglobulin G binding protein A
Entity
1. Immunoglobulin G binding protein A (polymer, Thiol state: not present), 59 monomers, 6508.158 Da Detail

ADNKFNKEQQ NAFYEILHLP NLNEEQRNAF IQSLKDDPSQ SAXLLAXAKX LNDXQAPKX


Formula weight
6508.158 Da
Source organism
Staphylococcus aureus
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Chemcal Shifts
1H: 423 assignments Detail
IDEntity IDSeq IDComp IDAtom IDAtom typeValVal errAmbig. code
111ALAHAH4.1080.0001
211ALAHB1H1.5410.0001
311ALAHB2H1.5410.0001
411ALAHB3H1.5410.0001
512ASPHH8.6480.0011
612ASPHAH4.6400.0011
712ASPHB2H2.5830.0002
812ASPHB3H2.6970.0012
913ASNHH8.4230.0011
1013ASNHAH4.6080.0011
1113ASNHB2H2.6130.0001
1213ASNHB3H2.6130.0001
1313ASNHD21H6.8680.0002
1413ASNHD22H7.5240.0002
1514LYSHH8.2670.0021
1614LYSHAH4.1910.0021
1714LYSHB2H1.6480.0022
1814LYSHB3H1.6970.0002
1914LYSHG2H1.2690.0001
2014LYSHG3H1.2690.0001
2114LYSHD2H1.6140.0001
2214LYSHD3H1.6140.0001
2314LYSHE2H2.9590.0021
2414LYSHE3H2.9590.0021
2515PHEHH8.1450.0001
2615PHEHAH5.0090.0011
2715PHEHB2H3.0190.0032
2815PHEHB3H3.3520.0012
2915PHEHD1H7.1490.0001
3015PHEHD2H7.1490.0001
3115PHEHE1H7.1020.0001
3215PHEHE2H7.1020.0001
3316ASNHH8.4520.0031
3416ASNHAH4.7280.0021
3516ASNHB2H2.9460.0012
3616ASNHB3H3.2600.0012
3716ASNHD21H6.9310.0002
3816ASNHD22H7.5210.0002
3917LYSHH8.3500.0001
4017LYSHAH4.0010.0011
4117LYSHB2H1.8270.0002
4217LYSHB3H1.8850.0002
4317LYSHG2H1.4450.0012
4417LYSHG3H1.5230.0002
4517LYSHD2H1.7230.0001
4617LYSHD3H1.7230.0001
4717LYSHE2H3.0260.0011
4817LYSHE3H3.0260.0011
4918GLUHH8.3110.0001
5018GLUHAH4.1170.0011
5118GLUHB2H2.0700.0002
5218GLUHB3H2.1410.0002
5318GLUHG2H2.3570.0001
5418GLUHG3H2.3570.0001
5519GLNHH8.4950.0001
5619GLNHAH3.9110.0001
5719GLNHB2H2.1890.0001
5819GLNHB3H2.1890.0001
5919GLNHG2H2.4540.0001
6019GLNHG3H2.4540.0001
6119GLNHE21H6.9990.0002
6219GLNHE22H7.2560.0002
63110GLNHH8.6140.0001
64110GLNHAH3.9960.0021
65110GLNHB2H2.2070.0001
66110GLNHB3H2.2070.0001
67110GLNHG2H2.4680.0001
68110GLNHG3H2.4680.0001
69110GLNHE21H6.8310.0002
70110GLNHE22H7.2320.0002
71111ASNHH8.2920.0001
72111ASNHAH4.6200.0021
73111ASNHB2H2.9170.0001
74111ASNHB3H2.9170.0001
75111ASNHD21H7.0010.0002
76111ASNHD22H7.7410.0002
77112ALAHH7.9590.0001
78112ALAHAH4.0970.0001
79112ALAHB1H1.4650.0001
80112ALAHB2H1.4650.0001
81112ALAHB3H1.4650.0001
82113PHEHH8.1750.0001
83113PHEHAH3.8810.0011
84113PHEHB2H3.0020.0002
85113PHEHB3H3.3060.0002
86113PHEHD1H7.0590.0001
87113PHEHD2H7.0590.0001
88113PHEHE1H7.2850.0001
89113PHEHE2H7.2850.0001
90114TYRHH8.1490.0001
91114TYRHAH3.9570.0031
92114TYRHB2H3.2220.0001
93114TYRHB3H3.2220.0001
94114TYRHD1H7.1410.0001
95114TYRHD2H7.1410.0001
96114TYRHE1H6.7180.0001
97114TYRHE2H6.7180.0001
98115GLUHH8.6030.0001
99115GLUHAH4.0150.0001
100115GLUHB2H2.0130.0002
101115GLUHB3H2.1820.0002
102115GLUHG2H2.2840.0002
103115GLUHG3H2.4930.0002
104116ILEHH8.4350.0001
105116ILEHAH3.4360.0021
106116ILEHBH1.8060.0021
107116ILEHG12H1.8570.0001
108116ILEHG13H1.8570.0001
109116ILEHG21H0.7920.0001
110116ILEHG22H0.7920.0001
111116ILEHG23H0.7920.0001
112116ILEHD11H0.5540.0001
113116ILEHD12H0.5540.0001
114116ILEHD13H0.5540.0001
115117LEUHH7.8880.0001
116117LEUHAH3.7120.0011
117117LEUHB2H1.1500.0022
118117LEUHB3H1.5060.0022
119117LEUHGH1.3950.0031
120117LEUHD11H0.5900.0022
121117LEUHD12H0.5900.0022
122117LEUHD13H0.5900.0022
123117LEUHD21H0.6790.0012
124117LEUHD22H0.6790.0012
125117LEUHD23H0.6790.0012
126118HISHH7.2710.0011
127118HISHAH4.4760.0001
128118HISHB2H2.7720.0012
129118HISHB3H3.4810.0002
130118HISHD2H7.1010.0001
131118HISHE1H8.2630.0001
132119LEUHH7.2390.0001
133119LEUHAH4.5130.0011
134119LEUHB2H1.3640.0012
135119LEUHB3H1.7490.0002
136119LEUHGH2.2180.0031
137119LEUHD11H0.6920.0002
138119LEUHD12H0.6920.0002
139119LEUHD13H0.6920.0002
140119LEUHD21H0.8470.0032
141119LEUHD22H0.8470.0032
142119LEUHD23H0.8470.0032
143120PROHAH4.3890.0011
144120PROHB2H1.9810.0002
145120PROHB3H2.3160.0002
146120PROHG2H2.0410.0002
147120PROHG3H2.1770.0002
148120PROHD2H3.8160.0002
149120PROHD3H4.0670.0002
150121ASNHH8.9180.0001
151121ASNHAH5.0020.0001
152121ASNHB2H2.8690.0012
153121ASNHB3H2.9600.0002
154121ASNHD21H7.0880.0002
155121ASNHD22H7.4190.0002
156122LEUHH6.6020.0001
157122LEUHAH4.5370.0011
158122LEUHB2H1.6160.0002
159122LEUHB3H1.6990.0002
160122LEUHGH1.7040.0001
161122LEUHD11H0.8390.0002
162122LEUHD12H0.8390.0002
163122LEUHD13H0.8390.0002
164122LEUHD21H0.9430.0002
165122LEUHD22H0.9430.0002
166122LEUHD23H0.9430.0002
167123ASNHH8.2910.0001
168123ASNHAH4.8950.0021
169123ASNHB2H2.8570.0002
170123ASNHB3H3.2940.0002
171123ASNHD21H7.0440.0002
172123ASNHD22H7.5080.0002
173124GLUHH8.6580.0001
174124GLUHAH3.9330.0001
175124GLUHB2H2.0370.0002
176124GLUHB3H2.0610.0002
177124GLUHG2H2.3700.0001
178124GLUHG3H2.3700.0001
179125GLUHH8.4300.0001
180125GLUHAH4.1020.0021
181125GLUHB2H2.0290.0002
182125GLUHB3H2.1290.0002
183125GLUHG2H2.3470.0001
184125GLUHG3H2.3470.0001
185126GLNHH8.3910.0001
186126GLNHAH3.8380.0011
187126GLNHB2H2.0320.0002
188126GLNHB3H2.4830.0002
189126GLNHG2H2.2990.0002
190126GLNHG3H2.8330.0002
191126GLNHE21H7.4970.0002
192126GLNHE22H8.0190.0002
193127ARGHH8.6360.0001
194127ARGHAH3.7890.0011
195127ARGHB2H1.7320.0002
196127ARGHB3H1.8970.0002
197127ARGHG2H1.5270.0002
198127ARGHG3H1.7320.0012
199127ARGHD2H3.2040.0002
200127ARGHD3H3.3800.0002
201128ASNHH8.4720.0001
202128ASNHAH4.4180.0021
203128ASNHB2H2.8020.0002
204128ASNHB3H2.9090.0002
205128ASNHD21H6.9970.0002
206128ASNHD22H7.6480.0002
207129ALAHH7.7370.0001
208129ALAHAH4.1710.0001
209129ALAHB1H1.2860.0001
210129ALAHB2H1.2860.0001
211129ALAHB3H1.2860.0001
212130PHEHH7.8060.0021
213130PHEHAH4.2950.0011
214130PHEHB2H3.0060.0002
215130PHEHB3H3.1300.0012
216130PHEHD1H7.2950.0001
217130PHEHD2H7.2950.0001
218130PHEHE1H7.2420.0011
219130PHEHE2H7.2420.0011
220130PHEHZH7.0740.0001
221131ILEHH8.4880.0001
222131ILEHAH3.7570.0011
223131ILEHBH2.1150.0021
224131ILEHG12H1.3830.0001
225131ILEHG13H1.6220.0001
226131ILEHG21H0.9580.0001
227131ILEHG22H0.9580.0001
228131ILEHG23H0.9580.0001
229131ILEHD11H0.6770.0011
230131ILEHD12H0.6770.0011
231131ILEHD13H0.6770.0011
232132GLNHH8.5200.0001
233132GLNHAH3.9420.0011
234132GLNHB2H2.1730.0002
235132GLNHB3H2.2190.0002
236132GLNHG2H2.4290.0001
237132GLNHG3H2.4290.0001
238132GLNHE21H6.9020.0002
239132GLNHE22H7.7520.0002
240133SERHH7.6790.0001
241133SERHAH4.2680.0031
242133SERHB2H3.9320.0002
243133SERHB3H4.0510.0002
244134LEUHH8.0830.0001
245134LEUHAH3.8350.0011
246134LEUHB2H1.6910.0002
247134LEUHB3H1.8440.0042
248134LEUHGH1.6550.0051
249134LEUHD11H0.7400.0002
250134LEUHD12H0.7400.0002
251134LEUHD13H0.7400.0002
252134LEUHD21H0.7920.0002
253134LEUHD22H0.7920.0002
254134LEUHD23H0.7920.0002
255135LYSHH8.1150.0001
256135LYSHAH4.0080.0001
257135LYSHB2H1.9330.0002
258135LYSHB3H1.9890.0002
259135LYSHG2H1.4450.0001
260135LYSHG3H1.4450.0001
261135LYSHD2H1.6840.0001
262135LYSHD3H1.6840.0001
263135LYSHE2H2.8490.0012
264135LYSHE3H2.8960.0002
265136ASPHH8.0000.0001
266136ASPHAH4.4740.0001
267136ASPHB2H2.7490.0002
268136ASPHB3H2.8220.0002
269137ASPHH7.5620.0011
270137ASPHAH4.9540.0011
271137ASPHB2H2.6080.0022
272137ASPHB3H2.9770.0022
273138PROHAH4.5110.0021
274138PROHB2H1.9870.0002
275138PROHB3H2.2680.0022
276138PROHG2H2.1230.0012
277138PROHG3H2.2170.0002
278138PROHD2H3.6910.0012
279138PROHD3H3.8750.0002
280139SERHH8.1220.0001
281139SERHAH4.3110.0021
282139SERHB2H3.9810.0002
283139SERHB3H4.0470.0002
284140GLNHH7.8420.0011
285140GLNHAH4.7250.0011
286140GLNHB2H1.9440.0022
287140GLNHB3H2.5500.0002
288140GLNHG2H2.3070.0002
289140GLNHG3H2.4230.0002
290140GLNHE21H6.6620.0002
291140GLNHE22H7.4320.0002
292141SERHH7.5970.0001
293141SERHAH3.7630.0001
294141SERHB2H3.9130.0001
295141SERHB3H3.9130.0001
296142ALAHH8.2920.0001
297142ALAHAH4.0450.0001
298142ALAHB1H1.4190.0001
299142ALAHB2H1.4190.0001
300142ALAHB3H1.4190.0001
301143AIBHH7.9700.0001
302143AIBHB11H1.4170.0002
303143AIBHB12H1.4170.0002
304143AIBHB13H1.4170.0002
305143AIBHB21H1.5660.0002
306143AIBHB22H1.5660.0002
307143AIBHB23H1.5660.0002
308144LEUHH8.3280.0001
309144LEUHAH4.0480.0011
310144LEUHB2H1.2660.0012
311144LEUHB3H1.9030.0002
312144LEUHGH1.9050.0031
313144LEUHD11H0.8300.0022
314144LEUHD12H0.8300.0022
315144LEUHD13H0.8300.0022
316144LEUHD21H1.0630.0012
317144LEUHD22H1.0630.0012
318144LEUHD23H1.0630.0012
319145LEUHH8.3120.0001
320145LEUHAH3.8890.0021
321145LEUHB2H1.5270.0002
322145LEUHB3H1.9130.0022
323145LEUHGH1.5500.0001
324145LEUHD11H0.9020.0001
325145LEUHD12H0.9020.0001
326145LEUHD13H0.9020.0001
327145LEUHD21H0.9020.0001
328145LEUHD22H0.9020.0001
329145LEUHD23H0.9020.0001
330146ALAHH7.7170.0021
331146ALAHAH3.9570.0001
332146ALAHB1H1.5210.0001
333146ALAHB2H1.5210.0001
334146ALAHB3H1.5210.0001
335147AIBHH8.0990.0001
336147AIBHB11H1.4070.0002
337147AIBHB12H1.4070.0002
338147AIBHB13H1.4070.0002
339147AIBHB21H1.6760.0002
340147AIBHB22H1.6760.0002
341147AIBHB23H1.6760.0002
342148ALAHH8.0990.0001
343148ALAHAH3.3790.0011
344148ALAHB1H0.5500.0001
345148ALAHB2H0.5500.0001
346148ALAHB3H0.5500.0001
347149LYSHH8.4110.0001
348149LYSHAH3.6500.0011
349149LYSHB2H1.7940.0002
350149LYSHB3H1.9050.0002
351149LYSHG2H1.3100.0001
352149LYSHG3H1.3100.0001
353149LYSHD2H1.5910.0002
354149LYSHD3H1.6770.0002
355149LYSHE2H2.8450.0002
356149LYSHE3H2.9370.0002
357150AIBHH8.0030.0001
358150AIBHB11H1.4100.0002
359150AIBHB12H1.4100.0002
360150AIBHB13H1.4100.0002
361150AIBHB21H1.5750.0002
362150AIBHB22H1.5750.0002
363150AIBHB23H1.5750.0002
364151LEUHH7.7330.0001
365151LEUHAH3.9590.0011
366151LEUHB2H1.6190.0002
367151LEUHB3H1.8150.0012
368151LEUHGH1.5770.0001
369151LEUHD11H0.8970.0002
370151LEUHD12H0.8970.0002
371151LEUHD13H0.8970.0002
372151LEUHD21H0.9500.0002
373151LEUHD22H0.9500.0002
374151LEUHD23H0.9500.0002
375152ASNHH8.6000.0011
376152ASNHAH3.9730.0001
377152ASNHB2H3.2130.0001
378152ASNHB3H3.2130.0001
379152ASNHD21H6.7540.0002
380152ASNHD22H7.9080.0002
381153ASPHH7.9660.0011
382153ASPHAH4.4390.0001
383153ASPHB2H2.7220.0002
384153ASPHB3H2.7950.0002
385154AIBHH8.1610.0011
386154AIBHB11H1.5600.0002
387154AIBHB12H1.5600.0002
388154AIBHB13H1.5600.0002
389154AIBHB21H1.6260.0002
390154AIBHB22H1.6260.0002
391154AIBHB23H1.6260.0002
392155GLNHH7.5730.0021
393155GLNHAH4.3150.0011
394155GLNHB2H1.8220.0002
395155GLNHB3H2.3040.0002
396155GLNHG2H2.5200.0002
397155GLNHG3H2.6490.0002
398155GLNHE21H7.1930.0002
399155GLNHE22H8.4150.0002
400156ALAHH7.4190.0001
401156ALAHAH4.3200.0001
402156ALAHB1H1.4850.0001
403156ALAHB2H1.4850.0001
404156ALAHB3H1.4850.0001
405157PROHAH4.4450.0021
406157PROHB2H1.9380.0002
407157PROHB3H2.3370.0002
408157PROHG2H2.0900.0062
409157PROHG3H2.1250.0012
410157PROHD2H3.6310.0002
411157PROHD3H3.8030.0002
412158LYSHH8.4950.0011
413158LYSHAH4.3320.0011
414158LYSHB2H1.7890.0012
415158LYSHB3H1.9000.0032
416158LYSHG2H1.4890.0012
417158LYSHG3H1.5460.0002
418158LYSHD2H1.7140.0011
419158LYSHD3H1.7140.0011
420158LYSHE2H3.0670.0021
421158LYSHE3H3.0670.0021
422159NH2HN1H7.0850.0002
423159NH2HN2H7.5760.0002

Release date
2022-02-02
Citation
Implications of the unfolded state in the folding energetics of heterogeneous-backbone protein mimetics
Santhouse, J.R., Leung, J.M.G., Chong, L.T., Horne, W.S.
Chem. Sci. (2022), 13, 11798-11806, PubMed 36320921 , DOI 10.1039/d2sc04427g ,
Entries sharing articles BMRB: 4 entries Detail
  BMRB: 30980 released on 2022-02-02
    Title B Domain of Staphylococcal protein A: Native backbone
  BMRB: 30981 released on 2022-02-02
    Title Backbone-modified variant of the B domain of Staphylococcal protein A: beta3-residues in helix 2
  BMRB: 30982 released on 2022-02-02
    Title Backbone-modified variant of the B domain of Staphylococcal protein A: Aib residues in helix 2
  BMRB: 30983 released on 2022-02-02
    Title Backbone-modified variant of the B domain of Staphylococcal protein A: beta3-residues in helix 3
Related entities 1. Immunoglobulin G binding protein A, : 2 : 109 : 75 entities Detail
Interaction partners 1. Immunoglobulin G binding protein A, : 1 interactors Detail
Experiments performed 3 experiments Detail
Chemical shift validation 3 contents Detail
Keywords DE NOVO PROTEIN